1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

C12H12F3N5OS — CID 126818462

IUPAC1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(C(NC(=O)Nc2cnc(C)nc2)C(F)(F)F)n1
InChIInChI=1S/C12H12F3N5OS/c1-6-5-22-10(18-6)9(12(13,14)15)20-11(21)19-8-3-16-7(2)17-4-8/h3-5,9H,1-2H3,(H2,19,20,21)
InChIKeyOJGJSYLAWLSTPZ-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 126818462) has the molecular formula C12H12F3N5OS and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID126818462
Molecular FormulaC12H12F3N5OS
Molecular Weight331.32 g/mol
Exact Mass331.07
IUPAC Name1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(C(NC(=O)Nc2cnc(C)nc2)C(F)(F)F)n1
InChIInChI=1S/C12H12F3N5OS/c1-6-5-22-10(18-6)9(12(13,14)15)20-11(21)19-8-3-16-7(2)17-4-8/h3-5,9H,1-2H3,(H2,19,20,21)
InChIKeyOJGJSYLAWLSTPZ-UHFFFAOYSA-N
XLogP2.98
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 154760224
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485
2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 154800609
1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea
CID 176910637
(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 9267875
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47433240
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751
1-(2-ethylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl]urea
CID 146143316
1-(2-chloropyrimidin-5-yl)-3-[(1R)-2,2,2-trifluoro-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532211
2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 113308289

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 126818462) is 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc(C(NC(=O)Nc2cnc(C)nc2)C(F)(F)F)n1.
What is the InChIKey of 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is OJGJSYLAWLSTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5OS/c1-6-5-22-10(18-6)9(12(13,14)15)20-11(21)19-8-3-16-7(2)17-4-8/h3-5,9H,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 331.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 126818462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).